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4-Hydroxycholest-4-en-3-one, acetate

View entire compound with spectra: 1 FTIR

4-Hydroxycholest-4-en-3-one, acetate
SpectraBase Compound ID 7b5i1Uqi0H3
InChI InChI=1S/C29H46O3/c1-18(2)8-7-9-19(3)22-12-13-23-21-10-11-25-27(32-20(4)30)26(31)15-17-29(25,6)24(21)14-16-28(22,23)5/h18-19,21-24H,7-17H2,1-6H3/t19-,21+,22-,23+,24+,28-,29-/m1/s1
InChIKey QORINXNJCPDNCL-TYCSKGGISA-N
Mol Weight 442.7 g/mol
Molecular Formula C29H46O3
Exact Mass 442.344695 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID HMMJkYX1wEe
Name 4-Hydroxycholest-4-en-3-one, acetate
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H46O3
InChI InChI=1S/C29H46O3/c1-18(2)8-7-9-19(3)22-12-13-23-21-10-11-25-27(32-20(4)30)26(31)15-17-29(25,6)24(21)14-16-28(22,23)5/h18-19,21-24H,7-17H2,1-6H3/t19-,21+,22-,23+,24+,28-,29-/m1/s1
InChIKey QORINXNJCPDNCL-TYCSKGGISA-N
Melting Point 100-101C
Molecular Weight 442.683990
Synonyms CHOLEST-4-EN-3-ONE, 4-HYDROXY-, ACETATE
Technique FILM (CAST FROM CHCl3)